2-[7-iodanyl-2,5-bis(oxidanylidene)-3-quinolin-3-yl-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[7-iodanyl-2,5-bis(oxidanylidene)-3-quinolin-3-yl-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[7-iodo-2,5-dioxo-3-(3-quinolyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[7-iodo-2,5-dioxo-3-(3-quinolinyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-(7-iodo-2,5-dioxo-3-quinolin-3-yl-1,3-dihydro-1,4-benzodiazepin-4-yl)-2-phenylacetic acid Traditional Name: 2-[7-iodo-2,5-diketo-3-(3-quinolyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C26H18IN3O4 MolecularWeight: 563.34329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H18IN3O4/c27-18-10-11-21-19(13-18)25(32)30(23(26(33)34)15-6-2-1-3-7-15)22(24(31)29-21)17-12-16-8-4-5-9-20(16)28-14-17/h1-14,22-23H,(H,29,31)(H,33,34)